| CAS Number | 1955530-74-1 |
| Catalog Number | AG01B23S |
| Chemical Name | 2-[(tert-Butoxy)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid |
| InChI | InChI=1S/C13H20O4/c1-12(2,3)17-11(16)13(10(14)15)7-8-4-5-9(13)6-8/h8-9H,4-7H2,1-3H3,(H,14,15) |
| InChI Key | JHHHMSZSSJJDLJ-UHFFFAOYSA-N |
| MDL Number | MFCD29991553 |
| Molecular Formula | C13H20O4 |
| Molecular Weight | 240.2955 |
| SMILES | CC(OC(C1(C(O)=O)C2CC(CC2)C1)=O)(C)C |
| Synonyms | 2-[(tert-butoxy)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid,
1955530-74-1,
AKOS033934010,
Z2512942893,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.299g/mol |
| Monoisotopic Mass | 240.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number